4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide

C11H18N2O2 — CID 62740306

IUPAC4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide
SMILESNC(=O)CCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c12-11(15)2-1-5-13-8-3-4-9(13)7-10(14)6-8/h8-9H,1-7H2,(H2,12,15)
InChIKeyWNDCMRYJLWOHCH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.45
Rot. Bonds4

About 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide

4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide (PubChem CID 62740306) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide.

Molecular Properties

Compound Name4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide
PubChem CID62740306
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide
SMILESNC(=O)CCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C11H18N2O2/c12-11(15)2-1-5-13-8-3-4-9(13)7-10(14)6-8/h8-9H,1-7H2,(H2,12,15)
InChIKeyWNDCMRYJLWOHCH-UHFFFAOYSA-N
XLogP0.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methanidyl-8-azoniabicyclo[3.2.1]octan-3-one
CID 58123618
carbamic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 68328497
8-Azabicyclo[3.2.1]octan-3-one;piperidin-4-one
CID 69152524
8-Butanoyl-8-azabicyclo[3.2.1]octan-3-one
CID 153713648
8-Methyl-8-azabicyclo[3.2.1]octan-3-one;octan-3-amine
CID 158364735
1-(2-Oxocycloheptyl)piperidine-2-carboxamide
CID 61571638
2-Methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 62739097
N-methyl-2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 62739455
2-(3-Oxo-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 62739936
N-[2-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]acetamide
CID 62739949
3-(3-Oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 62739950
N,N-dimethyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 62739966

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
The IUPAC name of 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide (CID 62740306) is 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide.
What is the SMILES notation for 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
The canonical SMILES for 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide is NC(=O)CCCN1C2CCC1CC(=O)C2.
What is the InChIKey of 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
The InChIKey is WNDCMRYJLWOHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-11(15)2-1-5-13-8-3-4-9(13)7-10(14)6-8/h8-9H,1-7H2,(H2,12,15).
What are the key properties of 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide?
4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide is sourced from PubChem (CID 62740306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).